O1-tert-butyl O4-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[2-(3-nitroanilino)-2-oxo-ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 4-O-[2-(3-nitroanilino)-2-oxoethyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-keto-2-(3-nitroanilino)ethyl] ester Formula: C19H25N3O7 MolecularWeight: 407.4177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O7/c1-19(2,3)29-18(25)21-9-7-13(8-10-21)17(24)28-12-16(23)20-14-5-4-6-15(11-14)22(26)27/h4-6,11,13H,7-10,12H2,1-3H3,(H,20,23)